# CIF generated by HEAS from Alexandria entry agm005100615 data_agm005100615 _cell_length_a 4.72504 _cell_length_b 4.72948 _cell_length_c 4.72948 _cell_angle_alpha 120.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 91.53008 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pa1 Pa 0.00000 0.33333 0.66667 1.00000 Fe1 Fe 0.50000 0.66667 0.33333 1.00000 B1 B 0.50000 0.00000 0.00000 1.00000 O1 O 0.71033 0.71478 0.69461 1.00000 O2 O 0.71033 0.30539 0.02017 1.00000 O3 O 0.71033 0.97983 0.28522 1.00000 O4 O 0.28967 0.30539 0.28522 1.00000 O5 O 0.28967 0.71478 0.02017 1.00000 O6 O 0.28967 0.97983 0.69461 1.00000